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7M8

Summary
Name:6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
Formula:C25 H23 N3 O4
Formal charge:0
Formula weight:429.468 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
InChIKeyInChI1.03OFWWWKWUCDUISA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N(C)c2cc(N3C(=O)c4cccc5c(CCCO)ccc(C3=O)c45)c(C)cc12
SMILESCACTVS3.385CN1C(=O)N(C)c2cc(N3C(=O)c4cccc5c(CCCO)ccc(C3=O)c45)c(C)cc12
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C
SMILESOpenEye OEToolkits2.0.6Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C

222415

PDB entries from 2024-07-10

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